{"title":"The influence of the continuum environment on molecular complexes formed by liquid crystals","authors":"T. Andreeva, M. Bedrina","doi":"10.1109/VMNEYR.2016.7880399","DOIUrl":null,"url":null,"abstract":"DFT B3LYP/6-31G method and polarizable continuum model (PCM) were used for the study of dimers and trimers 4-cyano-4′-n-pentylbiphenyl molecule (CB5) in various solvents. It was shown that there are changes of structure and vibrational spectra of molecules CB5.","PeriodicalId":407958,"journal":{"name":"2016 Young Researchers in Vacuum Micro/Nano Electronics (VMNE-YR)","volume":"220 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2016-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"2016 Young Researchers in Vacuum Micro/Nano Electronics (VMNE-YR)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1109/VMNEYR.2016.7880399","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
DFT B3LYP/6-31G method and polarizable continuum model (PCM) were used for the study of dimers and trimers 4-cyano-4′-n-pentylbiphenyl molecule (CB5) in various solvents. It was shown that there are changes of structure and vibrational spectra of molecules CB5.
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